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6-CHLORO-9H-PURIN-9-YL-PROPIO-NITRILE
SpectraBase Compound ID 8EzRx15xwv1
InChI InChI=1S/C8H6ClN5/c9-7-6-8(12-4-11-7)14(5-13-6)3-1-2-10/h4-5H,1,3H2
InChIKey HLBNMSUAAPNUJF-UHFFFAOYSA-N
Mol Weight 207.62 g/mol
Molecular Formula C8H6ClN5
Exact Mass 207.031173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGstlIGrqNj
Name 6-CHLORO-9H-PURIN-9-YL-PROPIO-NITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6ClN5
InChI InChI=1S/C8H6ClN5/c9-7-6-8(12-4-11-7)14(5-13-6)3-1-2-10/h4-5H,1,3H2
InChIKey HLBNMSUAAPNUJF-UHFFFAOYSA-N
Literature Reference Author H.ROSEMEYER,F.SEELA
Literature Reference Citation HETEROCYCLES,23,2669(1985)
Literature Reference DOI 10.3987/R-1985-10-2669
Molecular Weight 207.622 g/mol
Solvent DMSO-D6
Source File Reference UWED5280